NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3697 8.0327 117.3297 63.8733 70.2555 171.7914 2 T 4.6510 8.4761 122.2150 60.2360 68.8800 172.9024 3 C 5.2149 9.4716 126.9390 55.2937 42.2430 171.8835 4 C 5.1691 9.1123 123.4274 53.9408 47.3079 172.4148 5 P 4.9641 0.0000 0.0000 61.2012 31.8586 175.7862 6 S 4.5738 7.5326 110.7365 57.4822 66.5108 173.7008 7 I 3.7948 8.4102 129.3895 64.1356 36.5148 178.4982 8 V 3.7907 7.8104 118.3811 64.7746 31.3822 177.9582 9 A 3.9164 7.6823 120.2849 54.9252 18.8472 179.0369 10 R 3.9578 8.2835 117.9068 59.8414 29.9294 178.5090 11 S 4.6161 8.2831 115.0729 61.1854 63.0517 176.3281 12 N 4.3687 7.9942 121.3725 54.6104 36.7964 176.7439 13 F 4.2412 8.2110 123.0444 61.5327 39.7370 176.5742 14 N 4.1715 8.4135 116.5605 55.7187 37.0635 177.3048 15 V 3.5992 8.1314 120.9329 65.8191 31.5058 177.1408 16 C 4.3183 8.0991 118.3845 59.1461 43.2386 175.1246 17 R 4.6498 7.2166 120.2530 57.6775 29.9483 177.6499 18 L 4.0806 7.4666 119.3013 57.5297 41.6817 177.2726 19 P 4.4326 0.0000 0.0000 63.5100 31.3899 176.5070 20 G 4.1827 7.4494 107.7453 46.1409 0.0000 173.3661 21 T 4.4505 7.5801 115.6659 60.4092 70.0963 172.6415 22 P 4.4336 0.0000 0.0000 63.0266 32.1988 176.9493 23 E 3.6268 8.9890 121.6585 59.3524 28.8421 179.1234 24 A 4.0431 8.1341 121.2636 55.0408 18.6301 179.0823 25 L 4.0891 7.7612 118.2223 58.6514 42.2632 179.6877 26 C 4.4547 8.6063 116.5409 59.9223 38.0577 175.8658 27 A 4.3870 8.7868 124.1751 55.1326 17.7806 179.8474 28 T 4.0214 7.7130 112.9032 66.2075 68.4785 176.0003 29 Y 4.4915 7.8324 120.8616 60.6037 39.5985 177.0130 30 T 3.7847 8.2040 111.1584 63.5592 68.7179 175.8438 31 G 3.8864 8.4637 109.2556 45.0637 0.0000 172.8144 32 C 4.3770 7.7645 116.9086 57.2792 36.7633 173.6089 33 I 4.3104 8.2086 118.0836 59.9013 39.6573 175.1271 34 I 5.0240 8.2958 124.7850 59.8679 38.6492 174.7799 35 I 4.4023 8.7766 121.0523 58.3577 39.7176 174.0168 36 P 4.3643 0.0000 0.0000 64.9015 32.3722 178.1345 37 G 4.0403 7.5371 109.4307 44.3534 0.0000 173.7599 38 A 3.5111 8.6734 120.0118 52.4445 14.8900 175.6011 39 T 4.0183 7.8834 114.0084 63.2304 67.6890 175.1051 40 C 4.4850 8.5014 123.9780 56.1636 37.0861 172.9436 41 P 4.4429 0.0000 0.0000 62.2673 32.1335 176.9147 42 G 3.7985 8.4871 105.8604 46.4142 0.0000 173.7083 43 D 4.6625 7.6615 119.2246 53.3492 41.1381 177.0134 44 Y 4.8361 7.7029 116.2864 58.0837 38.4373 176.1523 45 A 4.5031 7.7696 121.9510 51.8674 19.4052 176.6645 46 N 4.5071 7.7384 122.3690 55.0350 38.9553 174.8740 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.03 4.37 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 2 T 8.48 4.65 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 3 C 9.47 5.21 0.00 2.71 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 9.11 5.17 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.96 0.00 2.30 2.46 0.00 3.43 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 6 S 7.53 4.57 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.41 3.79 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.96 0.93 0.00 0.00 8 V 7.81 3.79 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 9 A 7.68 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.28 3.96 0.00 2.21 2.00 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 11 S 8.28 4.62 0.00 4.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.99 4.37 0.00 2.94 3.19 0.00 0.00 7.07 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.21 4.24 0.00 3.10 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.41 4.17 0.00 2.93 3.09 0.00 0.00 6.74 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.13 3.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.02 0.00 0.00 16 C 8.10 4.32 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.22 4.65 0.00 1.50 1.94 0.00 3.27 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 18 L 7.47 4.08 0.00 1.85 1.67 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.15 2.15 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 20 G 7.45 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.58 4.45 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 P 0.00 4.43 0.00 2.26 2.20 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 23 E 8.99 3.63 0.00 1.59 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 24 A 8.13 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.76 4.09 0.00 1.77 1.74 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.61 4.45 0.00 3.07 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.79 4.39 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.71 4.02 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 29 Y 7.83 4.49 0.00 2.88 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.20 3.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 31 G 8.46 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.76 4.38 0.00 2.25 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.21 4.31 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.75 0.89 0.00 0.00 34 I 8.30 5.02 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.96 0.00 0.00 35 I 8.78 4.40 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.88 0.00 0.00 36 P 0.00 4.36 0.00 2.06 2.12 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 37 G 7.54 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.67 3.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.88 4.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 C 8.50 4.48 0.00 3.05 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.44 0.00 2.13 2.16 0.00 4.00 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 42 G 8.49 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.66 4.66 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.70 4.84 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.77 4.50 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.74 4.51 0.00 2.73 2.91 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00